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	hartrees
Energy at 0K	-105.403114
Energy at 298.15K	-105.414072
HF Energy	-105.403114
Nuclear repulsion energy	104.271648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2711	2616	84.47
2	A₁	2690	2596	30.06
3	A₁	2603	2511	47.27
4	A₁	2230	2152	12.61
5	A₁	1571	1516	6.96
6	A₁	1183	1141	9.47
7	A₁	996	961	5.52
8	A₁	855	825	0.02
9	A₁	799	771	1.22
10	A₁	670	647	0.03
11	A₁	558	538	0.12
12	A₁	210	203	8.17
13	A₂	2257	2178	0.00
14	A₂	1460	1409	0.00
15	A₂	1079	1041	0.00
16	A₂	1037	1000	0.00
17	A₂	907	876	0.00
18	A₂	677	654	0.00
19	A₂	416	401	0.00
20	B₁	2703	2608	28.92
21	B₁	2234	2156	10.05
22	B₁	1529	1476	41.88
23	B₁	1097	1059	18.24
24	B₁	1008	973	57.49
25	B₁	914	882	14.96
26	B₁	760	733	1.68
27	B₁	567	547	19.19
28	B₂	2691	2597	70.46
29	B₂	2598	2507	77.11
30	B₂	2246	2167	124.36
31	B₂	1327	1280	7.29
32	B₂	1167	1126	34.71
33	B₂	943	910	19.79
34	B₂	883	853	29.03
35	B₂	474	458	9.07
36	B₂	354	342	1.38

Atom	x (Å)	y (Å)	z (Å)
B1	-0.862	0.000	-0.464
B2	0.862	0.000	-0.464
B3	0.000	1.413	0.390
B4	0.000	-1.413	0.390
H5	-1.380	0.000	-1.526
H6	1.380	0.000	-1.526
H7	-1.318	0.918	0.265
H8	-1.318	-0.918	0.265
H9	1.318	-0.918	0.265
H10	1.318	0.918	0.265
H11	0.000	1.451	1.583
H12	0.000	2.432	-0.221
H13	0.000	-1.451	1.583
H14	0.000	-2.432	-0.221

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7232	1.8624	1.8624	1.1823	2.4804	1.2577	1.2577	2.4747	2.4747	2.6530	2.5918	2.6530	2.5918
B2	1.7232		1.8624	1.8624	2.4804	1.1823	2.4747	2.4747	1.2577	1.2577	2.6530	2.5918	2.6530	2.5918
B3	1.8624	1.8624		2.8263	2.7521	2.7521	1.4136	2.6805	2.6805	1.4136	1.1935	1.1883	3.1029	3.8936
B4	1.8624	1.8624	2.8263		2.7521	2.7521	2.6805	1.4136	1.4136	2.6805	3.1029	3.8936	1.1935	1.1883
H5	1.1823	2.4804	2.7521	2.7521		2.7592	2.0139	2.0139	3.3659	3.3659	3.6985	3.0861	3.6985	3.0861
H6	2.4804	1.1823	2.7521	2.7521	2.7592		3.3659	3.3659	2.0139	2.0139	3.6985	3.0861	3.6985	3.0861
H7	1.2577	2.4747	1.4136	2.6805	2.0139	3.3659		1.8352	3.2120	2.6361	1.9388	2.0658	3.0143	3.6325
H8	1.2577	2.4747	2.6805	1.4136	2.0139	3.3659	1.8352		2.6361	3.2120	3.0143	3.6325	1.9388	2.0658
H9	2.4747	1.2577	2.6805	1.4136	3.3659	2.0139	3.2120	2.6361		1.8352	3.0143	3.6325	1.9388	2.0658
H10	2.4747	1.2577	1.4136	2.6805	3.3659	2.0139	2.6361	3.2120	1.8352		1.9388	2.0658	3.0143	3.6325
H11	2.6530	2.6530	1.1935	3.1029	3.6985	3.6985	1.9388	3.0143	3.0143	1.9388		2.0533	2.9027	4.2821
H12	2.5918	2.5918	1.1883	3.8936	3.0861	3.0861	2.0658	3.6325	3.6325	2.0658	2.0533		4.2821	4.8645
H13	2.6530	2.6530	3.1029	1.1935	3.6985	3.6985	3.0143	1.9388	1.9388	3.0143	2.9027	4.2821		2.0533
H14	2.5918	2.5918	3.8936	1.1883	3.0861	3.0861	3.6325	2.0658	2.0658	3.6325	4.2821	4.8645	2.0533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.443	B1	B2	B4	62.443
B1	B2	H6	115.985	B1	B2	H9	111.281
B1	B2	H10	111.281	B1	B3	B2	55.113
B1	B3	H7	42.452	B1	B3	H10	97.171
B1	B3	H11	118.855	B1	B3	H12	114.520
B1	B4	B2	55.113	B1	B4	H8	42.452
B1	B4	H9	97.171	B1	B4	H13	118.855
B1	B4	H14	114.520	B1	H7	B3	88.200
B1	H8	B4	88.200	B2	B1	B3	62.443
B2	B1	B4	62.443	B2	B1	H5	115.985
B2	B1	H7	111.281	B2	B1	H8	111.281
B2	B3	H7	97.171	B2	B3	H10	42.452
B2	B3	H11	118.855	B2	B3	H12	114.520
B2	B4	H8	97.171	B2	B4	H9	42.452
B2	B4	H13	118.855	B2	B4	H14	114.520
B2	H9	B4	88.200	B2	H10	B3	88.200
B3	B1	B4	98.713	B3	B1	H5	127.942
B3	B1	H7	49.348	B3	B1	H8	117.114
B3	B2	B4	98.713	B3	B2	H6	127.942
B3	B2	H9	117.114	B3	B2	H10	49.348
B4	B1	H5	127.942	B4	B1	H7	117.114
B4	B1	H8	49.348	B4	B2	H6	127.942
B4	B2	H9	49.348	B4	B2	H10	117.114
H5	B1	H7	111.223	H5	B1	H8	111.223
H6	B2	H9	111.223	H6	B2	H10	111.223
H7	B1	H8	93.707	H7	B3	H10	137.614
H7	B3	H11	95.716	H7	B3	H12	104.784
H8	B4	H9	137.614	H8	B4	H13	95.716
H8	B4	H14	104.784	H9	B2	H10	93.707
H9	B4	H13	95.716	H9	B4	H14	104.784
H10	B3	H11	95.716	H10	B3	H12	104.784
H11	B3	H12	119.109	H13	B4	H14	119.109

All results from a given calculation for B₄H₁₀ (Tetraborane(10))

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	B	-0.127
2	B	-0.127
3	B	-0.084
4	B	-0.084
5	H	-0.018
6	H	-0.018
7	H	0.139
8	H	0.139
9	H	0.139
10	H	0.139
11	H	-0.022
12	H	-0.027
13	H	-0.022
14	H	-0.027

<r²>	91.030
(<r²>)^1/2	9.541

All results from a given calculation for B4H10 (Tetraborane(10))

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for B₄H₁₀ (Tetraborane(10))